2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine

C11H15ClF2N6 — CID 177317905

IUPAC2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine
SMILESFC1(F)CCN(c2nc(Cl)nc(N3CCNCC3)n2)C1
InChIInChI=1S/C11H15ClF2N6/c12-8-16-9(19-5-2-15-3-6-19)18-10(17-8)20-4-1-11(13,14)7-20/h15H,1-7H2
InChIKeyKFGWWUQAEITVKZ-UHFFFAOYSA-N
MW304.73 g/mol
LogP0.78
Rot. Bonds2

About 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine

2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine (PubChem CID 177317905) has the molecular formula C11H15ClF2N6 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine
PubChem CID177317905
Molecular FormulaC11H15ClF2N6
Molecular Weight304.73 g/mol
Exact Mass304.10
IUPAC Name2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine
SMILESFC1(F)CCN(c2nc(Cl)nc(N3CCNCC3)n2)C1
InChIInChI=1S/C11H15ClF2N6/c12-8-16-9(19-5-2-15-3-6-19)18-10(17-8)20-4-1-11(13,14)7-20/h15H,1-7H2
InChIKeyKFGWWUQAEITVKZ-UHFFFAOYSA-N
XLogP0.78
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Piperazin-1-yl)-4,6-di(pyrrolidin-1-yl)-1,3,5-triazine
CID 649745
2-N-(2,2-difluoropropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220310
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 156717736
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 177318021
4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124532
4-chloro-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62869894
4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 63227511
4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 63227550
4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80772310
2-N-ethyl-4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80775116
4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80777292
4-N-ethyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80778174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine (CID 177317905) is 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine is FC1(F)CCN(c2nc(Cl)nc(N3CCNCC3)n2)C1.
What is the InChIKey of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine?
The InChIKey is KFGWWUQAEITVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N6/c12-8-16-9(19-5-2-15-3-6-19)18-10(17-8)20-4-1-11(13,14)7-20/h15H,1-7H2.
What are the key properties of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine?
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine has a molecular weight of 304.73 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine is sourced from PubChem (CID 177317905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).